4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid

C16H13Cl2NO3 — CID 45347539

IUPAC4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NO3/c17-13-7-12(8-14(18)9-13)15(20)19-6-5-10-1-3-11(4-2-10)16(21)22/h1-4,7-9H,5-6H2,(H,19,20)(H,21,22)
InChIKeyWCISSMAMUQNJPF-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.66
Rot. Bonds5

About 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid

4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid (PubChem CID 45347539) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid
PubChem CID45347539
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NO3/c17-13-7-12(8-14(18)9-13)15(20)19-6-5-10-1-3-11(4-2-10)16(21)22/h1-4,7-9H,5-6H2,(H,19,20)(H,21,22)
InChIKeyWCISSMAMUQNJPF-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid (CID 45347539) is 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid?
The InChIKey is WCISSMAMUQNJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-13-7-12(8-14(18)9-13)15(20)19-6-5-10-1-3-11(4-2-10)16(21)22/h1-4,7-9H,5-6H2,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid?
4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid has a molecular weight of 338.19 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-dichlorobenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 45347539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).